Chemical ID: 6420374

CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
Chemical ID:
6420374
Name [?]:
None
SMILES [?]:
CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
InChi [?]:
InChI=1/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3
InChi Info:
AuxInfo=1/0/N:21,1,17,19,27,20,3,7,4,6,13,25,2,16,8,12,23,10,15,14,11,5,26,9,24,18,22/rA:27cCCCCCCCCOCCCCCCCCOCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s8;s2s10;s11;s12;s13;s14;s5s15;s16;s15;s14;s14;d20;s12;s22;d23;s23;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H34O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:8
ZAP Information [?]
Total:7.65378
Area:505.871
Solvation:-4.99299
Coulombic:-62.0387
Bond Count [?]
All:29
Single:26
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.502
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.7
LogP (Chemaxon):3.62

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Descriptor Annotations

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